Vitas-M small molecule compound
tert-butyl ({(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Catalog ID
STK617687
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C)OCC(=O)OC(C)(C)C)cn2C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H27NO6 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6/c1-15-21(31-14-23(28)33-26(2,3)4)10-8-18-24(29)22(32-25(15)18)11-16-13-27(5)20-9-7-17(30-6)12-19(16)20/h7-13H,14H2,1-6H3/b22-11+InChIKey
AJUUOGVSOGVJGS-SSDVNMTOSA-NSynonyms
929477-55-4(E)tertbutyl2((2((5methoxy1methyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl)oxy)acetate
929477554
CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)OCC(=O)OC(C)(C)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)OCC(=O)OC(C)(C)C)cn2C
InChI=1SC26H27NO6c11521(311423(28)3326(23)4)1081824(29)22(3225(15)18)11161327(5)209717(306)1219(16)20h713H14H216H3b2211+
MFCD09794767
tertbutyl(((2E)2((5methoxy1methyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl)oxy)acetate
tertbutyl2(((2E)2((5methoxy1methylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)oxy)acetate
ZINC000009422213
ZINC09422213
ZINC9422213
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